4PHW

Crystal Structure of PDE10A with 1H-benzimidazol-2-yl(4-((3-(tetrahydro-2H-pyran-4-yl)-2-pyridinyl)oxy)phenyl)methanone

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2009-08-12
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	F 2 3
Unit cell lengths	253.340, 253.340, 253.340
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.500
R-factor	0.16075
Rwork	0.160
R-free	0.18048
RMSD bond length	0.007
RMSD bond angle	1.149
Refinement software	REFMAC (5.8.0069)

Data quality characteristics

	Overall
Low resolution limit [Å]	30.000
High resolution limit [Å]	2.500
Number of reflections	59555
<I/σ(I)>	4.04
Completeness [%]	99.8
Redundancy	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	1.6M Ammonium Sulfate, 0.1M MES monohydrate, 10% w/v 1,4-Dioxane